2-naphthalen-1-ylhexanoyl chloride

C16H17ClO — CID 131880950

IUPAC2-naphthalen-1-ylhexanoyl chloride
SMILESCCCCC(C(=O)Cl)c1cccc2ccccc12
InChIInChI=1S/C16H17ClO/c1-2-3-9-15(16(17)18)14-11-6-8-12-7-4-5-10-13(12)14/h4-8,10-11,15H,2-3,9H2,1H3
InChIKeyYOTQECMMXRUTAH-UHFFFAOYSA-N
MW260.76 g/mol
LogP4.88
Rot. Bonds5

About 2-naphthalen-1-ylhexanoyl chloride

2-naphthalen-1-ylhexanoyl chloride (PubChem CID 131880950) has the molecular formula C16H17ClO and a molecular weight of 260.76 g/mol. Its IUPAC name is 2-naphthalen-1-ylhexanoyl chloride.

Molecular Properties

Compound Name2-naphthalen-1-ylhexanoyl chloride
PubChem CID131880950
Molecular FormulaC16H17ClO
Molecular Weight260.76 g/mol
Exact Mass260.10
IUPAC Name2-naphthalen-1-ylhexanoyl chloride
SMILESCCCCC(C(=O)Cl)c1cccc2ccccc12
InChIInChI=1S/C16H17ClO/c1-2-3-9-15(16(17)18)14-11-6-8-12-7-4-5-10-13(12)14/h4-8,10-11,15H,2-3,9H2,1H3
InChIKeyYOTQECMMXRUTAH-UHFFFAOYSA-N
XLogP4.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.76
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-1-yldodecanoic acid
CID 23333439
2-[2-(trifluoromethyl)phenyl]hexanoyl chloride
CID 58351069
2-naphthalen-1-ylpentanoate
CID 154825316
2-naphthalen-1-ylhexan-1-ol
CID 57029231
1-decan-5-ylnaphthalene
CID 14029915
[(2R)-hexan-2-yl] (2S)-2-methoxy-2-naphthalen-1-ylacetate
CID 102533731
5-naphthalen-1-ylheptadecan-2-one
CID 142778100
2-chloro-2-naphthalen-1-ylacetyl chloride;methane
CID 174783201
N-methyl-1-naphthalen-1-ylpentan-1-amine
CID 55103784
2-phenyloctadecanoyl chloride
CID 154195260
3-(1,3-dioxoisoindol-2-yl)-2-naphthalen-1-ylpropanoyl chloride
CID 10737457
1-tetracosan-9-ylnaphthalene
CID 175897855

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-ylhexanoyl chloride?
The IUPAC name of 2-naphthalen-1-ylhexanoyl chloride (CID 131880950) is 2-naphthalen-1-ylhexanoyl chloride.
What is the SMILES notation for 2-naphthalen-1-ylhexanoyl chloride?
The canonical SMILES for 2-naphthalen-1-ylhexanoyl chloride is CCCCC(C(=O)Cl)c1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-ylhexanoyl chloride?
The InChIKey is YOTQECMMXRUTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO/c1-2-3-9-15(16(17)18)14-11-6-8-12-7-4-5-10-13(12)14/h4-8,10-11,15H,2-3,9H2,1H3.
What are the key properties of 2-naphthalen-1-ylhexanoyl chloride?
2-naphthalen-1-ylhexanoyl chloride has a molecular weight of 260.76 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-ylhexanoyl chloride is sourced from PubChem (CID 131880950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).